(4'-{1-Ethyl-1-[3-methyl-4-(1-trimethylsilanyloxy-cyclopentylethynyl)-phenyl]-propyl}-2'-methyl-biphenyl-4-yl)acetic acid methyl ester

HCID 57709095

基本情報

標準SMILES
CCC(CC)(c1ccc(C#CC2(O[Si](C)(C)C)CCCC2)c(C)c1)c1ccc(-c2ccc(CC(=O)OC)cc2)c(C)c1
InChIKey
JTIQCNNHFQUKGD-UHFFFAOYSA-N
分子式
C38H48O3Si
平均分子量
580.9 g/mol
単同位体質量
580.33727192

名称と識別子

優先名称
(4'-{1-Ethyl-1-[3-methyl-4-(1-trimethylsilanyloxy-cyclopentylethynyl)-phenyl]-propyl}-2'-methyl-biphenyl-4-yl)acetic acid methyl ester
IUPAC
methyl 2-[4-[2-methyl-4-[3-[3-methyl-4-[2-(1-trimethylsilyloxycyclopentyl)ethynyl]phenyl]pentan-3-yl]phenyl]phenyl]acetate

名称と別名

SCHEMBL1525137JTIQCNNHFQUKGD-UHFFFAOYSA-N(4'-{1-ethyl-1-[3-methyl-4-(1-trimethylsilanyloxy-cyclopentylethynyl)-phenyl]-propyl}-2'-methyl-biphenyl-4-yl)-acetic Acid Methyl Ester(4'-{1-ethyl-1-[3-methyl-4-(1-trimethylsilanyloxy-cyclopentylethynyl)-phenyl]-propyl}-2'-methyl-biphenyl-4-yl)acetic acid methyl ester

データベース識別子

PubChem CID
57709095

物性

構造計算による物性

極性表面積
35.5 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
12
重原子数
42

関連反応

4 件

化合物ノート

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